Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.1642    0.5551   -0.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3094   -0.0620    0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8842   -0.0165   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639    0.6259   -1.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9734   -0.6630    0.7873 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6258   -0.5737    0.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1181    0.4554    1.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4782    0.5561    0.6965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0845   -0.3600   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218   -1.3964   -0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0231   -1.4934   -0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4978   -0.2168   -0.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0851   -1.0437   -1.1840 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2588    0.8876    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2189    0.5064   -0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332    1.1152   -1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.6265    1.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3210    1.2024    1.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0616    1.3509    1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7911   -2.1348   -1.3256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5625   -2.3235   -0.8019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604    0.9673    1.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3391    0.8214    0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9472    1.8667   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers